1-[4-(3-azanylpropylsulfanyl)-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-(3-azanylpropylsulfanyl)-2-[(1-oxidanyl-1-oxidanylidene-4-phenyl-butan-2-yl)amino]butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-(3-aminopropylsulfanyl)-2-[(1-carboxy-3-phenyl-propyl)amino]butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-(3-aminopropylthio)-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-(3-aminopropylsulfanyl)-2-[(1-hydroxy-1-oxo-4-phenylbutan-2-yl)amino]butanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-(3-aminopropylthio)-2-[(1-carboxy-3-phenyl-propyl)amino]butanoyl]proline Formula: C22H33N3O5S MolecularWeight: 451.57952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCSCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCSCCCN)NC(CCC2=CC=CC=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C22H33N3O5S/c23-12-5-14-31-15-11-17(20(26)25-13-4-8-19(25)22(29)30)24-18(21(27)28)10-9-16-6-2-1-3-7-16/h1-3,6-7,17-19,24H,4-5,8-15,23H2,(H,27,28)(H,29,30)